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canSAR1952030
FEATURES
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NAMES
    SMILES
    CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(OC)c3OC)c2C(=O)Nc2ccc(OC)cc2OC)C1
    InChI
    InChI=1S/C29H35N3O8S/c1-7-40-29(34)32-13-12-19-23(16-32)41-28(30-15-17-8-11-21(36-3)26(39-6)25(17)38-5)24(19)27(33)31-20-10-9-18(35-2)14-22(20)37-4/h8-11,14,30H,7,12-13,15-16H2,1-6H3,(H,31,33)
    MOLECULAR FORMULA
    C29H35N3O8S
    CROSS REFERENCES
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    canSAR1952030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.21
    AlogP 5.17
    HBond donors 2
    HBond acceptors 11
    Atoms 76
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1952030.